Potassium Cation → 2-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4,5'-bipyrimidine-2'-amine

HRID 677389Notes

Reaction equation

HRID 677389 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][n:36][c:37]([NH2:40])[n:38][cH:39]2)[O:41]1.[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[OH2:54].[Pd:55]([Cl:56])[Cl:57]>>[c:2]1(-[c:34]2[cH:35][n:36][c:37]([NH2:40])[n:38][cH:39]2)[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 177502122-Aminopyrimidine-5-boronic acid, pinacol esterHCID 442492591-[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]-2-(difluoromethyl)-1H-benzimidazole

Product 1

HCID 581028012-[2-(difluoromethyl)-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-4,5'-bipyrimidine-2'-amine

Sources & evidence

ORD record
ord-405d3e3b32ad4da283f36488e7916e41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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